Geometry & MOs

Info

ID:

189537

PubChem CID:

77869177

Reduced:

FO2N4H19C21 (1)

Stoich.:

AB2C4D19E21 (1)

Weight, g/mol:

526.131224

ΔHf, kcal/mol:

-21.83

Dipole, Da:

9.99

IP(EA), eV:

 -9.15(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(hydroxymethylamino)-6-methyloxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN=C(C=C3)C4(C5C4CNC5)C#N)F

DOS

IR

Vibrations